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

C20H21N5O4 — CID 11200284

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3O)cc2)no1
InChIInChI=1S/C20H21N5O4/c1-20(2,3)15-11-16(25-29-15)24-19(28)23-13-8-6-12(7-9-13)22-18(27)17-14(26)5-4-10-21-17/h4-11,26H,1-3H3,(H,22,27)(H2,23,24,25,28)
InChIKeyBGVQPQHIUOTLBT-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.97
Rot. Bonds4

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 11200284) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide
PubChem CID11200284
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3O)cc2)no1
InChIInChI=1S/C20H21N5O4/c1-20(2,3)15-11-16(25-29-15)24-19(28)23-13-8-6-12(7-9-13)22-18(27)17-14(26)5-4-10-21-17/h4-11,26H,1-3H3,(H,22,27)(H2,23,24,25,28)
InChIKeyBGVQPQHIUOTLBT-UHFFFAOYSA-N
XLogP3.97
TPSA129.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)picolinamide
CID 11280411
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide
CID 54761159
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyridine-2-carboxamide
CID 60055686
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide
CID 71461137
3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide
CID 71991537
[6-[[4-[2-[(5-Tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]carbamoyl]-3-pyridinyl] hypofluorite
CID 144289058
N-[(3-Cyclohexyl-1,2,4-oxadiazol-5-YL)methyl]-3-hydroxypyridine-2-carboxamide
CID 91787760
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-methylpyridine-2-carboxamide
CID 11303960
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-nitropyridine-2-carboxamide
CID 11316202
[2-[[4-[(5-Tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate
CID 11373985
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088891
N-(4-(3-(5-tert-Butylisoxazol-3-yl)ureido)phenyl)-5-(1-ethylazetidin-3-yloxy)picolinamide
CID 54761677

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide (CID 11200284) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3O)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is BGVQPQHIUOTLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-20(2,3)15-11-16(25-29-15)24-19(28)23-13-8-6-12(7-9-13)22-18(27)17-14(26)5-4-10-21-17/h4-11,26H,1-3H3,(H,22,27)(H2,23,24,25,28).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 11200284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).