(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide

C14H18N4O3 — CID 34339582

IUPAC(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCC(C)c1nc2cc(N[C@H](C)C(=O)NC(N)=O)ccc2o1
InChIInChI=1S/C14H18N4O3/c1-7(2)13-17-10-6-9(4-5-11(10)21-13)16-8(3)12(19)18-14(15)20/h4-8,16H,1-3H3,(H3,15,18,19,20)/t8-/m1/s1
InChIKeyXSTQVKFVYGISKL-MRVPVSSYSA-N
MW290.32 g/mol
LogP1.95
Rot. Bonds4

About (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide

(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 34339582) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID34339582
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCC(C)c1nc2cc(N[C@H](C)C(=O)NC(N)=O)ccc2o1
InChIInChI=1S/C14H18N4O3/c1-7(2)13-17-10-6-9(4-5-11(10)21-13)16-8(3)12(19)18-14(15)20/h4-8,16H,1-3H3,(H3,15,18,19,20)/t8-/m1/s1
InChIKeyXSTQVKFVYGISKL-MRVPVSSYSA-N
XLogP1.95
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 55630143
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091
(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide
CID 40954212
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 17456697

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide (CID 34339582) is (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide is CC(C)c1nc2cc(N[C@H](C)C(=O)NC(N)=O)ccc2o1.
What is the InChIKey of (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is XSTQVKFVYGISKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7(2)13-17-10-6-9(4-5-11(10)21-13)16-8(3)12(19)18-14(15)20/h4-8,16H,1-3H3,(H3,15,18,19,20)/t8-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide?
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 290.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 34339582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).