1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

C23H26N4O5 — CID 18343082

IUPAC1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
SMILESCCC(CO)OC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(C)c2)c1
InChIInChI=1S/C23H26N4O5/c1-3-19(13-28)32-23(30)25-11-16-5-4-6-17(10-16)26-22(29)27-18-7-8-20(15(2)9-18)21-12-24-14-31-21/h4-10,12,14,19,28H,3,11,13H2,1-2H3,(H,25,30)(H2,26,27,29)
InChIKeySKRHRDXZGGGHNW-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.29
Rot. Bonds8

About 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (PubChem CID 18343082) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Name1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
PubChem CID18343082
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
SMILESCCC(CO)OC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(C)c2)c1
InChIInChI=1S/C23H26N4O5/c1-3-19(13-28)32-23(30)25-11-16-5-4-6-17(10-16)26-22(29)27-18-7-8-20(15(2)9-18)21-12-24-14-31-21/h4-10,12,14,19,28H,3,11,13H2,1-2H3,(H,25,30)(H2,26,27,29)
InChIKeySKRHRDXZGGGHNW-UHFFFAOYSA-N
XLogP4.29
TPSA125.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-hydroxybutan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925007
1-aminobutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 23546200
[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate
CID 10074535
1-carbamoyloxybutan-2-yl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343102
[(2S)-1-[furan-2-ylmethyl(methyl)amino]propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925030
[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] (2R)-2-amino-3-methylbutanoate
CID 59924986
[1-cyano-3-[ethyl(methyl)amino]propan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 71063366
2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl (2R)-2,5-diamino-5-oxopentanoate
CID 58680213
[(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 58644817
[(1R)-2-(diethylamino)-1-phenylethyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59924995
[2-[ethyl(propyl)amino]-1-phenylethyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343125
1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea
CID 22986206

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The IUPAC name of 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (CID 18343082) is 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.
What is the SMILES notation for 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The canonical SMILES for 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is CCC(CO)OC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(C)c2)c1.
What is the InChIKey of 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The InChIKey is SKRHRDXZGGGHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-3-19(13-28)32-23(30)25-11-16-5-4-6-17(10-16)26-22(29)27-18-7-8-20(15(2)9-18)21-12-24-14-31-21/h4-10,12,14,19,28H,3,11,13H2,1-2H3,(H,25,30)(H2,26,27,29).
What are the key properties of 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate has a molecular weight of 438.48 g/mol, XLogP of 4.29, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 18343082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).