N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide

C21H23N5O4 — CID 87300976

IUPACN-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide
SMILESCN(C=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)ccn1
InChIInChI=1S/C21H23N5O4/c1-21(2,3)17-12-18(25-30-17)24-20(28)23-14-5-7-15(8-6-14)29-16-9-10-22-19(11-16)26(4)13-27/h5-13H,1-4H3,(H2,23,24,25,28)
InChIKeyWQBINBSJDBZNCF-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.40
Rot. Bonds6

About N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide

N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide (PubChem CID 87300976) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide
PubChem CID87300976
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide
SMILESCN(C=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)ccn1
InChIInChI=1S/C21H23N5O4/c1-21(2,3)17-12-18(25-30-17)24-20(28)23-14-5-7-15(8-6-14)29-16-9-10-22-19(11-16)26(4)13-27/h5-13H,1-4H3,(H2,23,24,25,28)
InChIKeyWQBINBSJDBZNCF-UHFFFAOYSA-N
XLogP4.40
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[(6-ethoxy-3-pyridinyl)oxy]phenyl]urea
CID 58990223
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-[3-(methylsulfamoyl)phenoxy]phenyl]urea
CID 44565771
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
tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
CID 59380976
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-[(4Z)-7-methyl-3-methylideneocta-4,6-dienoxy]phenyl]urea
CID 143051889
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-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]urea
CID 59380958
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea
CID 143052329
N-[4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]-2-chlorophenoxy]-2-pyridinyl]-N-methylformamide
CID 87178743

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide?
The IUPAC name of N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide (CID 87300976) is N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide.
What is the SMILES notation for N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide?
The canonical SMILES for N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide is CN(C=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)ccn1.
What is the InChIKey of N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide?
The InChIKey is WQBINBSJDBZNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-21(2,3)17-12-18(25-30-17)24-20(28)23-14-5-7-15(8-6-14)29-16-9-10-22-19(11-16)26(4)13-27/h5-13H,1-4H3,(H2,23,24,25,28).
What are the key properties of N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide?
N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide has a molecular weight of 409.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide is sourced from PubChem (CID 87300976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).