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

C19H26N4O4 — CID 59380976

IUPACtert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C19H26N4O4/c1-18(2,3)14-11-15(23-27-14)22-16(24)20-12-7-9-13(10-8-12)21-17(25)26-19(4,5)6/h7-11H,1-6H3,(H,21,25)(H2,20,22,23,24)
InChIKeySHULWRVBMOFZMK-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.96
Rot. Bonds3

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

tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate (PubChem CID 59380976) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
PubChem CID59380976
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nametert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C19H26N4O4/c1-18(2,3)14-11-15(23-27-14)22-16(24)20-12-7-9-13(10-8-12)21-17(25)26-19(4,5)6/h7-11H,1-6H3,(H,21,25)(H2,20,22,23,24)
InChIKeySHULWRVBMOFZMK-UHFFFAOYSA-N
XLogP4.96
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylsulfinylphenyl)urea
CID 59380965
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-prop-1-ynylphenyl)urea
CID 118669274
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 72962930
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 11210014
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate (CID 59380976) is tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1.
What is the InChIKey of tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate?
The InChIKey is SHULWRVBMOFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-18(2,3)14-11-15(23-27-14)22-16(24)20-12-7-9-13(10-8-12)21-17(25)26-19(4,5)6/h7-11H,1-6H3,(H,21,25)(H2,20,22,23,24).
What are the key properties of tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate?
tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate has a molecular weight of 374.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 59380976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).