(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide

C15H20N4O3 — CID 39951551

IUPAC(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C15H20N4O3/c1-4-8(2)13(19-15(16)21)14(20)18-10-5-6-12-11(7-10)17-9(3)22-12/h5-8,13H,4H2,1-3H3,(H,18,20)(H3,16,19,21)/t8-,13-/m0/s1
InChIKeyDQAUGRZWSAXMFM-SDBXPKJASA-N
MW304.35 g/mol
LogP2.16
Rot. Bonds5

About (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide

(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide (PubChem CID 39951551) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
PubChem CID39951551
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C15H20N4O3/c1-4-8(2)13(19-15(16)21)14(20)18-10-5-6-12-11(7-10)17-9(3)22-12/h5-8,13H,4H2,1-3H3,(H,18,20)(H3,16,19,21)/t8-,13-/m0/s1
InChIKeyDQAUGRZWSAXMFM-SDBXPKJASA-N
XLogP2.16
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S,3S)-3-methyl-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxopentan-2-yl]carbamate
CID 26683428
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
benzyl N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate
CID 26665599
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
4-ethoxy-N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]benzamide
CID 34747353
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522
(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide
CID 30035442
(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
CID 2373139
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide?
The IUPAC name of (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide (CID 39951551) is (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide.
What is the SMILES notation for (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide?
The canonical SMILES for (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide is CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2oc(C)nc2c1.
What is the InChIKey of (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide?
The InChIKey is DQAUGRZWSAXMFM-SDBXPKJASA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-8(2)13(19-15(16)21)14(20)18-10-5-6-12-11(7-10)17-9(3)22-12/h5-8,13H,4H2,1-3H3,(H,18,20)(H3,16,19,21)/t8-,13-/m0/s1.
What are the key properties of (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide?
(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide has a molecular weight of 304.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide is sourced from PubChem (CID 39951551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).